N-benzyl-2-methylpropan-1-amine;ethane

C13H23N — CID 142079167

IUPACN-benzyl-2-methylpropan-1-amine;ethane
SMILESCC.CC(C)CNCc1ccccc1
InChIInChI=1S/C11H17N.C2H6/c1-10(2)8-12-9-11-6-4-3-5-7-11;1-2/h3-7,10,12H,8-9H2,1-2H3;1-2H3
InChIKeyYAPHDZQUTMBFHJ-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.46
Rot. Bonds4

About N-benzyl-2-methylpropan-1-amine;ethane

N-benzyl-2-methylpropan-1-amine;ethane (PubChem CID 142079167) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-benzyl-2-methylpropan-1-amine;ethane.

Molecular Properties

Compound NameN-benzyl-2-methylpropan-1-amine;ethane
PubChem CID142079167
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-benzyl-2-methylpropan-1-amine;ethane
SMILESCC.CC(C)CNCc1ccccc1
InChIInChI=1S/C11H17N.C2H6/c1-10(2)8-12-9-11-6-4-3-5-7-11;1-2/h3-7,10,12H,8-9H2,1-2H3;1-2H3
InChIKeyYAPHDZQUTMBFHJ-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1-(benzylamino)propan-2-ol
CID 964914
N-benzyl-2-methoxypropan-1-amine
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CID 65031724
2-methyl-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 112722137
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 4725253
N-benzyl-5-bromo-2-methylpentan-1-amine
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2-benzyl-N-(2-methylpropyl)-3-phenylpropan-1-amine
CID 63496022
1,2-dibenzylhydrazine;ethane;2-methylbutane
CID 145412701
N-[[4-(difluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 115523367
2-methyl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine
CID 103437435
N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 60751693
N-benzyl-2-methylpent-4-en-1-amine
CID 10487895

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methylpropan-1-amine;ethane?
The IUPAC name of N-benzyl-2-methylpropan-1-amine;ethane (CID 142079167) is N-benzyl-2-methylpropan-1-amine;ethane.
What is the SMILES notation for N-benzyl-2-methylpropan-1-amine;ethane?
The canonical SMILES for N-benzyl-2-methylpropan-1-amine;ethane is CC.CC(C)CNCc1ccccc1.
What is the InChIKey of N-benzyl-2-methylpropan-1-amine;ethane?
The InChIKey is YAPHDZQUTMBFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.C2H6/c1-10(2)8-12-9-11-6-4-3-5-7-11;1-2/h3-7,10,12H,8-9H2,1-2H3;1-2H3.
What are the key properties of N-benzyl-2-methylpropan-1-amine;ethane?
N-benzyl-2-methylpropan-1-amine;ethane has a molecular weight of 193.33 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methylpropan-1-amine;ethane is sourced from PubChem (CID 142079167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).